Structure 1100925

1100919 << 1100925 >> 1100926
Original COD entry Download CIF Download DOT

Citation: Emme, Holger; Valldor, Martin; P\"ottgen, Rainer; Huppertz, Hubert (2005). Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er--Lu). Chemistry of Materials, 17, pp. 2707-2715.

Formula: B5 Er3 O12

Chemical name: Trierbiumpentaborate

Cell parameters:

  • a = 12.8458(10) Å
  • b = 4.6186(10) Å
  • c = 12.5128(10) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 1

Basis: (1;0;0 0;1;0 0;0;1)

Dimensionality: 3

Formula: B20 Er12 O48 (B5 Er3 O12)

Multiplicity: 1

Coordination sequences:

  • 3, 14, 31, 87, 135, 213, 271, 406, 493, 648
  • 3, 16, 28, 84, 106, 205, 250, 426, 500, 644
  • 3, 21, 46, 89, 135, 237, 314, 413, 506, 684
  • 4, 9, 44, 67, 131, 198, 292, 388, 502, 632
  • 4, 10, 50, 95, 145, 208, 320, 414, 535, 648
  • 4, 11, 49, 71, 152, 192, 332, 390, 546, 656
  • 4, 18, 34, 82, 132, 214, 300, 378, 504, 644
  • 4, 19, 36, 87, 120, 234, 279, 408, 477, 673
  • 4, 21, 39, 91, 134, 233, 300, 427, 527, 681
  • 4, 21, 41, 92, 139, 222, 299, 418, 527, 677
  • 4, 25, 43, 95, 144, 224, 314, 421, 527, 675
  • 6, 18, 51, 88, 156, 229, 332, 404, 548, 664
  • 9, 20, 52, 80, 151, 206, 337, 418, 563, 652
  • 11, 26, 58, 99, 175, 245, 332, 425, 571, 678
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